UCSF

ZINC48336826

Substance Information

In ZINC since Heavy atoms Benign functionality
September 14th, 2010 17 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.48 7 -35.08 1 4 1 44 237.323 7
Mid Mid (pH 6-8) 1.48 5.73 -9.27 0 4 0 42 236.315 7

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )